Cheminformatics II. Noel M. O’Boyle. Apr 2010 Postgrad course on Comp Chem. Substructure search using SMARTS. SMARTS – an extension of SMILES for substructure searching (“regular expressions for substructures”) Simple example Ether: [OD2]([#6])[#6]
Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author.While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server.
Noel M. O’Boyle
Postgrad course on Comp Chem
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects, Lagorce et al, BMC Bioinf, 2008, 9, 396.
Does not compute!
Note: Rule of thumb
Rule of Fives